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Information card for entry 7053818
Preview
Coordinates | 7053818.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H12 N2 O2 |
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Calculated formula | C11 H12 N2 O2 |
SMILES | c1ccn2CCn3cccc3C(=O)c12.O |
Title of publication | Synthesis and properties of 5,6-dihydrodipyrrolo[1,2-d;2′,1′-g][1,4]diazepin-11-one |
Authors of publication | Johnston, Karen A.; McNab, Hamish |
Journal of publication | New Journal of Chemistry |
Year of publication | 2009 |
Journal volume | 33 |
Journal issue | 8 |
Pages of publication | 1703 |
a | 4.5748 ± 0.0003 Å |
b | 13.0074 ± 0.0009 Å |
c | 17.0717 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1015.87 ± 0.12 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0842 |
Residual factor for significantly intense reflections | 0.0703 |
Weighted residual factors for all reflections | 0.1841 |
Weighted residual factors for significantly intense reflections | 0.1737 |
Weighted residual factors for all reflections included in the refinement | 0.1841 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7053818.html
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structural data.